HMDB0297260 RDKit 3D DG(20:3(6,8,11)-OH(5)/8:0/0:0) 91 90 0 0 0 0 0 0 0 0999 V2000 10.4674 -3.6498 -2.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 -3.5829 -1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -2.4576 -2.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 -1.1665 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8259 -0.8900 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4936 0.4055 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.5296 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 1.6703 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 1.9318 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 1.1587 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 1.5086 2.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 1.7223 3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 1.6028 2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 1.8391 2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 1.7528 2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.0121 2.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 2.6581 3.8965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 0.6909 2.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 0.1328 1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 0.9768 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 1.1857 1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 0.6368 2.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 1.9487 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9257 2.2503 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 1.1727 0.7627 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0298 0.3557 2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3511 -0.1696 2.0605 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1376 0.5000 -0.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2234 0.6204 -1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1128 1.4319 -0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -0.1263 -2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6185 -0.0405 -3.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8600 -0.6500 -2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5562 -0.5303 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9797 -1.1504 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8119 -2.6658 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2163 -3.2081 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 -4.6746 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9514 -2.8708 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6541 -3.5287 -3.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -3.4903 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 -4.5393 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5853 -2.6182 -3.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3076 -2.4056 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 -1.1968 -2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6755 -0.3268 -3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3324 -1.6859 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 -0.8970 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5880 0.3717 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 0.6421 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 1.5162 -2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 2.4711 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0441 2.5637 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 0.7990 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8135 2.8278 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1498 0.2824 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 2.4410 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 0.7248 3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 1.9930 4.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 1.3442 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 2.0976 3.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.4940 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 2.6785 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 2.1354 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 -0.0041 3.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 0.7156 3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -0.0382 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 -0.8867 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 1.9224 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 0.4143 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 2.8257 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2911 2.9983 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9399 1.8005 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9368 1.0193 2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3641 -0.5301 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9824 0.5873 2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0156 -1.1750 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5437 0.2843 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4615 -0.3108 -4.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8534 1.0996 -3.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7937 -1.7667 -3.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6468 -0.3173 -3.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 -0.8503 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6797 0.5768 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1235 -0.7522 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8134 -1.0777 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1139 -2.8966 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8398 -3.0554 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1108 -3.2402 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5155 -2.6101 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5339 -4.2881 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 1 26 74 1 0 26 75 1 0 27 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 37 91 1 0 M END